444235 -OEChem-10051720003D 13 13 0 0 0 0 0 0 0999 V2000 -0.7086 -0.0059 0.0002 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3273 0.7084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0479 1.0964 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1004 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 -0.0178 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3897 -0.6643 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3007 2.1165 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3629 -2.0845 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 1.0060 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -0.5317 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 -0.5394 0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 1.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3611 -1.1173 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 13 1 0 0 0 0 M CHG 1 1 1 M END > DB02671 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MCTWTZJPVLRJOU-UHFFFAOYSA-O/SDF?record_type=3d > CN1C=C[NH+]=C1 > InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1 > MCTWTZJPVLRJOU-UHFFFAOYSA-O > C4H7N2 > 83.1118 > 83.060923234 > 0 > 13 > 0.2731951939417392 > 9.004193946348177 > 1 > 1 > 1 > 0 > 1-methyl-1H-imidazol-3-ium > -1.47 > 0.07845185866666653 > -1.72 > 0 > 0 > 1 > 0 > 6.575055264500313 > 19.07 > 23.956 > 0 > 1 > 2.26e+00 g/l > tetrahydrofolic acid > 1 $$$$